Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM20882'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM20882 (4-[4-(4-benzylpiperazin-1-yl)-1H-pyrazol-3-yl]-6-c...) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H21ClN4O2/c21-16-10-15(18(26)11-19(16)27)20-17(12-22-23-20)25-8-6-24(7-9-25)13-14-4-2-1-3-5-14/h1-5,10-12,26-27H,6-9,13H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Ltd Curated by ChEMBL					Assay Description Inhibition of HSP90 by FP assay				Bioorg Med Chem Lett 16: 2543-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM20882 (4-[4-(4-benzylpiperazin-1-yl)-1H-pyrazol-3-yl]-6-c...) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H21ClN4O2/c21-16-10-15(18(26)11-19(16)27)20-17(12-22-23-20)25-8-6-24(7-9-25)13-14-4-2-1-3-5-14/h1-5,10-12,26-27H,6-9,13H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Ltd Curated by ChEMBL					Assay Description Inhibition of HSP90 ATPase activity				Bioorg Med Chem Lett 16: 2543-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS
					More data for this Ligand-Target Pair